N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide

C17H19N7O2 — CID 122567008

IUPACN-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide
SMILESO=C(NCCC1CCOC1)c1cccc(-c2cnn(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C17H19N7O2/c25-16(18-6-4-12-5-7-26-11-12)14-3-1-2-13(8-14)15-9-19-24(10-15)17-20-22-23-21-17/h1-3,8-10,12H,4-7,11H2,(H,18,25)(H,20,21,22,23)
InChIKeyIMZLTCMFEIISCS-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.21
Rot. Bonds6

About N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide

N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 122567008) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID122567008
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide
SMILESO=C(NCCC1CCOC1)c1cccc(-c2cnn(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C17H19N7O2/c25-16(18-6-4-12-5-7-26-11-12)14-3-1-2-13(8-14)15-9-19-24(10-15)17-20-22-23-21-17/h1-3,8-10,12H,4-7,11H2,(H,18,25)(H,20,21,22,23)
InChIKeyIMZLTCMFEIISCS-UHFFFAOYSA-N
XLogP1.21
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126452642
3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125444929
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
4-(1-oxo-2H-isoquinolin-7-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126432243
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 115160939
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide (CID 122567008) is N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide is O=C(NCCC1CCOC1)c1cccc(-c2cnn(-c3nn[nH]n3)c2)c1.
What is the InChIKey of N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is IMZLTCMFEIISCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c25-16(18-6-4-12-5-7-26-11-12)14-3-1-2-13(8-14)15-9-19-24(10-15)17-20-22-23-21-17/h1-3,8-10,12H,4-7,11H2,(H,18,25)(H,20,21,22,23).
What are the key properties of N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide?
N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 353.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)ethyl]-3-[1-(2H-tetrazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 122567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).